(dichloromethyl(15N)amino)methanol

C2H5Cl2NO — CID 87733049

IUPAC(dichloromethyl(15N)amino)methanol
SMILESOC[15NH]C(Cl)Cl
InChIInChI=1S/C2H5Cl2NO/c3-2(4)5-1-6/h2,5-6H,1H2/i5+1
InChIKeySOMQNGCMISQHKN-HOSYLAQJSA-N
MW130.97 g/mol
LogP0.29
Rot. Bonds2

About (dichloromethyl(15N)amino)methanol

(dichloromethyl(15N)amino)methanol (PubChem CID 87733049) has the molecular formula C2H5Cl2NO and a molecular weight of 130.97 g/mol. Its IUPAC name is (dichloromethyl(15N)amino)methanol.

Molecular Properties

Compound Name(dichloromethyl(15N)amino)methanol
PubChem CID87733049
Molecular FormulaC2H5Cl2NO
Molecular Weight130.97 g/mol
Exact Mass129.97
IUPAC Name(dichloromethyl(15N)amino)methanol
SMILESOC[15NH]C(Cl)Cl
InChIInChI=1S/C2H5Cl2NO/c3-2(4)5-1-6/h2,5-6H,1H2/i5+1
InChIKeySOMQNGCMISQHKN-HOSYLAQJSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.97
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dichloromethyl(15N)amino)methanol?
The IUPAC name of (dichloromethyl(15N)amino)methanol (CID 87733049) is (dichloromethyl(15N)amino)methanol.
What is the SMILES notation for (dichloromethyl(15N)amino)methanol?
The canonical SMILES for (dichloromethyl(15N)amino)methanol is OC[15NH]C(Cl)Cl.
What is the InChIKey of (dichloromethyl(15N)amino)methanol?
The InChIKey is SOMQNGCMISQHKN-HOSYLAQJSA-N. The full InChI is InChI=1S/C2H5Cl2NO/c3-2(4)5-1-6/h2,5-6H,1H2/i5+1.
What are the key properties of (dichloromethyl(15N)amino)methanol?
(dichloromethyl(15N)amino)methanol has a molecular weight of 130.97 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dichloromethyl(15N)amino)methanol is sourced from PubChem (CID 87733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).